Geometry & MOs

Info

ID:

298543

PubChem CID:

117650914

Reduced:

N2O2C7H10 (1)

Stoich.:

A2B2C7D10 (1)

Weight, g/mol:

616.412775

ΔHf, kcal/mol:

-22.0

Dipole, Da:

3.19

IP(EA), eV:

-9.42(0.01)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(8R,9S,13S,14S)-17-methoxy-13-methyl-3-propoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene;(8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

Drug info:

PubChemData

Smile

CC(C)(C=O)C1=NOC(=C1)N

DOS

IR

Vibrations